SCHEMBL19796399

SCHEMBL19796399

C=CC(=O)OCCOc1cc(C2CCC(CCCCC)CC2)c(OCCOC(=O)C=C)cc1CCO

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.38
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
CNR2 P34972 9/20 0.34
CNR1 P21554 5/20 0.34
THRB P10828 4/20 0.34
THRA P10827 1/20 0.34
PPARG P37231 1/20 0.32
HTR2A P28223 1/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19796855 0.97 SCN9A (0.36) SCN9ATSHRHPGDCNR2CNR1
SCHEMBL19796401 0.84 TSHR (0.39) TSHRHPGDCNR2CNR1THRB
SCHEMBL19796903 0.83 HPGD (0.36) SCN9ATSHRHPGDCNR2CNR1
SCHEMBL19796734 0.83 CNR2 (0.37) TSHRHPGDCNR2CNR1THRB
SCHEMBL19804160 0.82 PTGDR2 (0.40) TSHRTHRBHTR2A
SCHEMBL19796767 0.82 CNR2 (0.36) TSHRHPGDCNR2CNR1THRB
SCHEMBL19796856 0.82 TSHR (0.36) TSHRHPGDCNR2CNR1THRB
SCHEMBL19804648 0.81 THRB (0.36) SCN9ATSHRTHRBHTR2A
SCHEMBL17070417 0.81 SCN9A (0.35) SCN9ATSHRCNR2CNR1HTR2A
SCHEMBL19796451 0.80 THRB (0.39) SCN9ATSHRHPGDCNR2THRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-01-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SP1, C1S, AP3D1 SCN9A 1401/4885TSHR 4195/4885HPGD 4741/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.